SCHEMBL3607290

SCHEMBL3607290

CC(=O)NCCCNc1nccc(-c2ccnc(Nc3cccc(CN)c3)n2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
BCR P11274 1/20 0.43
CFD P00746 1/20 0.41
SYK P43405 4/20 0.41
JAK2 O60674 3/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MTOR P42345 1/20 0.39
SMG1 Q96Q15 1/20 0.39
TBK1 Q9UHD2 2/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
PLK1 P53350 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FLT3 P36888 1/20 0.38
CAMK2D Q13557 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3603519 0.92 SYK (0.49) ABL1EGFRSRCBCRSYK
SCHEMBL14140367 0.89 ABL1 (0.48) ABL1EGFRSRCBCRSYK
SCHEMBL3605169 0.88 CDK2 (0.51) ABL1BCRJAK2CDK1CDK2
SCHEMBL3603517 0.86 ABL1 (0.41) ABL1EGFRSRCBCRSYK
SCHEMBL3609681 0.85 CDK2 (0.51) ABL1EGFRSRCBCRCDK1
SCHEMBL3604092 0.83 CDK1 (0.54) EGFRSYKJAK2CDK1CDK2
SCHEMBL3606836 0.81 SYK (0.47) ABL1BCRSYKCDK1CDK2
SCHEMBL3610719 0.81 CAMK2D (0.54) ABL1BCRCDK1CDK2MTOR
SCHEMBL3602605 0.78 CDK2 (0.50) ABL1BCRJAK2CDK1CDK2
SCHEMBL3608990 0.78 MAPT (0.52) ABL1EGFRSRCBCRJAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABL1 3215/4885EGFR 4114/4885SRC 3229/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.